N-(1-pyridin-3-ylethylideneamino)heptanamide

C14H21N3O — CID 4162270

IUPACN-(1-pyridin-3-ylethylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-3-4-5-6-9-14(18)17-16-12(2)13-8-7-10-15-11-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyGKNXNBBEOUBZJH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds7

About N-(1-pyridin-3-ylethylideneamino)heptanamide

N-(1-pyridin-3-ylethylideneamino)heptanamide (PubChem CID 4162270) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethylideneamino)heptanamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethylideneamino)heptanamide
PubChem CID4162270
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1-pyridin-3-ylethylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C(C)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-3-4-5-6-9-14(18)17-16-12(2)13-8-7-10-15-11-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyGKNXNBBEOUBZJH-UHFFFAOYSA-N
XLogP2.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
1-pyridin-3-ylundecan-1-one
CID 19756112
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethylideneamino)heptanamide?
The IUPAC name of N-(1-pyridin-3-ylethylideneamino)heptanamide (CID 4162270) is N-(1-pyridin-3-ylethylideneamino)heptanamide.
What is the SMILES notation for N-(1-pyridin-3-ylethylideneamino)heptanamide?
The canonical SMILES for N-(1-pyridin-3-ylethylideneamino)heptanamide is CCCCCCC(=O)NN=C(C)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethylideneamino)heptanamide?
The InChIKey is GKNXNBBEOUBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-5-6-9-14(18)17-16-12(2)13-8-7-10-15-11-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-pyridin-3-ylethylideneamino)heptanamide?
N-(1-pyridin-3-ylethylideneamino)heptanamide has a molecular weight of 247.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethylideneamino)heptanamide is sourced from PubChem (CID 4162270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).